UCSF

ZINC00087972

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 -1.42 -6.39 2 2 0 38 245.134 1
Lo Low (pH 4.5-6) 3.43 -1.36 -27.64 3 2 1 40 246.142 1

Vendor Notes

Note Type Comments Provided By
melting_point 1.560000000000000e+002 - 1.580000000000000e+002 KeyOrganics
melting_point 156 - 158 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )